Please use this identifier to cite or link to this item: http://hdl.handle.net/20.500.12779/6004
Title: A fast virtual screening approach to identify structurally diverse inhibitors of trypanothione reductase
Authors: Maccari, Giorgio
T., Jaeger
Moraca, Francesca
M., Biava
L., Flohé
Botta, Maurizio 
Keywords: Chagas disease, Trypanothione reductase, Virtual screening, Similarity search, Shape similarity
Issue Date: 2011
Project: None 
Journal: BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
Abstract: 
Trypanothione reductase (TryR) is one of the favorite targets for those designing drugs for the treatment of Chagas disease. We present the application of a fast virtual screening approach for designing hit compounds active against TryR. Our protocol combines information derived from structurally known inhibitors and from the TryR receptor structure. Five structurally diverse hit compounds active against TryR and holding promise for the treatment of Chagas disease are reported.
Description: 
22234
URI: http://hdl.handle.net/20.500.12779/6004
ISSN: 0960-894X
DOI: 10.1016/j.bmcl.2011.07.036
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